The dipolar endofullerene HF@C60
The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage while mi...
| Main Authors: | , , , , , , , , , , , , , , , , |
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| Format: | Article |
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Nature Publishing Group
2016
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| Online Access: | https://eprints.nottingham.ac.uk/35021/ |
| _version_ | 1848794985188556800 |
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| author | Krachmalnikoff, Andrea Bounds, Richard Mamone, Salvatore Alom, Shamim Concistrè, Maria Meier, Benno Kouřil, Karel Light, Mark Johnson, Mark R. Rols, Stéphane Horsewill, Anthony J. Shugai, Anna Nagel, Urmas Rõõm, Toomas Carravetta, Marina Levitt, Malcolm H. Whitby, Richard J. |
| author_facet | Krachmalnikoff, Andrea Bounds, Richard Mamone, Salvatore Alom, Shamim Concistrè, Maria Meier, Benno Kouřil, Karel Light, Mark Johnson, Mark R. Rols, Stéphane Horsewill, Anthony J. Shugai, Anna Nagel, Urmas Rõõm, Toomas Carravetta, Marina Levitt, Malcolm H. Whitby, Richard J. |
| author_sort | Krachmalnikoff, Andrea |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage while minimizing escape of HF. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large 1H-19F J coupling typical of an isolated species. The dipole moment of HF@C60 was estimated from the temperature-dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole. |
| first_indexed | 2025-11-14T19:24:53Z |
| format | Article |
| id | nottingham-35021 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T19:24:53Z |
| publishDate | 2016 |
| publisher | Nature Publishing Group |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-350212020-05-04T18:02:13Z https://eprints.nottingham.ac.uk/35021/ The dipolar endofullerene HF@C60 Krachmalnikoff, Andrea Bounds, Richard Mamone, Salvatore Alom, Shamim Concistrè, Maria Meier, Benno Kouřil, Karel Light, Mark Johnson, Mark R. Rols, Stéphane Horsewill, Anthony J. Shugai, Anna Nagel, Urmas Rõõm, Toomas Carravetta, Marina Levitt, Malcolm H. Whitby, Richard J. The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage while minimizing escape of HF. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large 1H-19F J coupling typical of an isolated species. The dipole moment of HF@C60 was estimated from the temperature-dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole. Nature Publishing Group 2016-07-11 Article PeerReviewed Krachmalnikoff, Andrea, Bounds, Richard, Mamone, Salvatore, Alom, Shamim, Concistrè, Maria, Meier, Benno, Kouřil, Karel, Light, Mark, Johnson, Mark R., Rols, Stéphane, Horsewill, Anthony J., Shugai, Anna, Nagel, Urmas, Rõõm, Toomas, Carravetta, Marina, Levitt, Malcolm H. and Whitby, Richard J. (2016) The dipolar endofullerene HF@C60. Nature Chemistry . ISSN 1755-4349 http://www.nature.com/nchem/journal/vaop/ncurrent/full/nchem.2563.html doi:10.1038/nchem.2563 doi:10.1038/nchem.2563 |
| spellingShingle | Krachmalnikoff, Andrea Bounds, Richard Mamone, Salvatore Alom, Shamim Concistrè, Maria Meier, Benno Kouřil, Karel Light, Mark Johnson, Mark R. Rols, Stéphane Horsewill, Anthony J. Shugai, Anna Nagel, Urmas Rõõm, Toomas Carravetta, Marina Levitt, Malcolm H. Whitby, Richard J. The dipolar endofullerene HF@C60 |
| title | The dipolar endofullerene HF@C60 |
| title_full | The dipolar endofullerene HF@C60 |
| title_fullStr | The dipolar endofullerene HF@C60 |
| title_full_unstemmed | The dipolar endofullerene HF@C60 |
| title_short | The dipolar endofullerene HF@C60 |
| title_sort | dipolar endofullerene hf@c60 |
| url | https://eprints.nottingham.ac.uk/35021/ https://eprints.nottingham.ac.uk/35021/ https://eprints.nottingham.ac.uk/35021/ |